Geometry & MOs

Info

ID:	186034
PubChem CID:	77382509
Reduced:	BrN5O5C30H40 (1)
Stoich.:	AB5C5D30E40 (1)
Weight, g/mol:	422.235814
ΔH_f, kcal/mol:	-185.01
Dipole, Da:	7.45
IP(EA), eV:	-9.01(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-benzhydryl-N-[(4-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCCC.C1=CC=C(C=C1)CN2C3C(C(=C2Br)CCC4=CC=C(C=C4)NC(CCC(=O)O)C(=O)O)C(=O)NC(N3)N

DOS

IR

Vibrations