Geometry & MOs

Info

ID:	37073
PubChem CID:	8016523
Reduced:	N2O4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	-94.33
Dipole, Da:	5.85
IP(EA), eV:	-9.07(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=C(OC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NC4=CC=CC=N4)C)C

DOS

IR

Vibrations