Geometry & MOs

Info

ID:	187948
PubChem CID:	77646269
Reduced:	N2O2C29H40 (1)
Stoich.:	A2B2C29D40 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-97.33
Dipole, Da:	7.85
IP(EA), eV:	-9.13(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-[(2-methoxyphenyl)methylamino]-4-phenylbutan-2-ol

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)NCCCC4=CC=CC=C4)CCC5C3(C=CC(=O)N5C)C

DOS

IR

Vibrations