Geometry & MOs

Info

ID:	435453
PubChem CID:	135191499
Reduced:	ClO2N6C22H27 (1)
Stoich.:	AB2C6D22E27 (1)
Weight, g/mol:	169.056135
ΔH_f, kcal/mol:	-42.3
Dipole, Da:	4.95
IP(EA), eV:	-8.92(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methylaminosulfanylmethyl)phenol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CNC2=NC(=NC3=C2C(=CN3)C4=CC=NC=C4)Cl

DOS

IR

Vibrations