Geometry & MOs

Info

ID:	446518
PubChem CID:	135275620
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	514.294391
ΔH_f, kcal/mol:	-101.76
Dipole, Da:	1.53
IP(EA), eV:	-9.28(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-amino-4-[amino(ethyl)amino]-2-methylphenyl]-3-(2-benzoyl-3-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CN=C(C=C1C)OC

DOS

IR

Vibrations