Geometry & MOs

Info

ID:	234681
PubChem CID:	92303297
Reduced:	ClN3O3C22H24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	407.116732
ΔH_f, kcal/mol:	-95.97
Dipole, Da:	8.53
IP(EA), eV:	-9.38(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)N1C2=C(C=C(C=C2)C(=O)O)N=C1CCNC(=O)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations