Geometry & MOs

Info

ID:	234671
PubChem CID:	92303282
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	409.132382
ΔH_f, kcal/mol:	-69.2
Dipole, Da:	7.28
IP(EA), eV:	-9.01(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations