Geometry & MOs

Info

ID:	432003
PubChem CID:	135172131
Reduced:	N3O3C29H43 (1)
Stoich.:	A3B3C29D43 (1)
Weight, g/mol:	481.330442
ΔH_f, kcal/mol:	-124.34
Dipole, Da:	2.42
IP(EA), eV:	-8.2(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[3-[[5-(methoxymethyl)pyridin-2-yl]amino]-4-[(4-methylcyclohexyl)-(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC1CCC(CC1)N(CC(C)C)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=NC=C(C=C3)COC

DOS

IR

Vibrations