Geometry & MOs

Info

ID:	126957
PubChem CID:	50985403
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-115.5
Dipole, Da:	4.39
IP(EA), eV:	-9.14(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[5-(2,3-dimethoxyphenyl)-4-phenylimidazol-1-yl]butanoate

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3CCC3

DOS

IR

Vibrations