Geometry & MOs

Info

ID:	156164
PubChem CID:	56369387
Reduced:	N3O4C30H31 (1)
Stoich.:	A3B4C30D31 (1)
Weight, g/mol:	444.204907
ΔH_f, kcal/mol:	-96.76
Dipole, Da:	8.06
IP(EA), eV:	-8.05(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-benzyl-2-hydroxybenzoyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C(=O)C4CCCN4C(=O)C5=C(C6=CC=CC=C6C=C5)O

DOS

IR

Vibrations