Geometry & MOs

Info

ID:	446526
PubChem CID:	135275671
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	500.278741
ΔH_f, kcal/mol:	-2.46
Dipole, Da:	4.38
IP(EA), eV:	-8.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-amino-4-[amino(ethyl)amino]-2-methylphenyl]-3-(2-benzoyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propanoate

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@@H](CC(=O)OC)C3=NC4=C(CCNC4)C=C3)C)N=N1

DOS

IR

Vibrations