Geometry & MOs

Info

ID:	137960
PubChem CID:	52291875
Reduced:	O3N4C27H28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-19.69
Dipole, Da:	3.19
IP(EA), eV:	-8.34(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[(1-methoxyisoquinoline-3-carbonyl)amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)[C@@H](C2=CC=CC=C2)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

DOS

IR

Vibrations