Geometry & MOs

Info

ID:	192845
PubChem CID:	78319270
Reduced:	BSN11O11C45H50 (1)
Stoich.:	ABC11D11E45F50 (1)
Weight, g/mol:	242.141913
ΔH_f, kcal/mol:	-390.21
Dipole, Da:	10.67
IP(EA), eV:	-9.04(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(dimethylamino)phenyl]methylamino]phenol

Drug info:

PubChemData

Smile

B(C1=C(C=CC(=C1)OCCCC(=O)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C(=NCCNC(=O)CC[C@@H](C(=O)O)NC(=O)C4=CC=C(C=C4)NCC5=CN=C6C(=N5)C(=O)N=C(N6)N)C)(O)O

DOS

IR

Vibrations