Geometry & MOs

Info

ID:	234672
PubChem CID:	92303283
Reduced:	Cl2O2N3C20H25 (1)
Stoich.:	A2B2C3D20E25 (1)
Weight, g/mol:	423.171355
ΔH_f, kcal/mol:	-66.67
Dipole, Da:	4.67
IP(EA), eV:	-9.27(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N(C[C@H]1CCCO1)CC2=NC=CN2CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations