Geometry & MOs

Info

ID:	336217
PubChem CID:	127255224
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	459.07937
ΔH_f, kcal/mol:	-43.75
Dipole, Da:	4.21
IP(EA), eV:	-8.71(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-bromophenyl)-3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]propanoate

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=O)CCCCCN2C=CC=C2

DOS

IR

Vibrations