Geometry & MOs

Info

ID:	188946
PubChem CID:	77791378
Reduced:	N3O3H19C22 (1)
Stoich.:	A3B3C19D22 (1)
Weight, g/mol:	500.242356
ΔH_f, kcal/mol:	-38.76
Dipole, Da:	6.22
IP(EA), eV:	-9.08(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[4-[2-[(carbamoylamino)methyl]phenyl]phenyl]methyl]-7-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CO)N2C3=CC=CC(=C3C4=C(C2=O)N=CC=C4)C(=O)N

DOS

IR

Vibrations