Geometry & MOs

Info

ID:	234664
PubChem CID:	92303269
Reduced:	ClO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	389.187005
ΔH_f, kcal/mol:	-45.36
Dipole, Da:	6.82
IP(EA), eV:	-9.29(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CN(CC2=NC=CN2CC3=CC=CC=C3Cl)C(=O)C4CCC4

DOS

IR

Vibrations