Geometry & MOs

Info

ID:	302201
PubChem CID:	124360338
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	376.199822
ΔH_f, kcal/mol:	-41.17
Dipole, Da:	2.35
IP(EA), eV:	-8.67(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-[[(3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]butanoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)C(C)C)N2C=NC3=CC=CC=C3C2=O

DOS

IR

Vibrations