Geometry & MOs

Info

ID:	421013
PubChem CID:	135115237
Reduced:	ClO2N4C15H23 (1)
Stoich.:	AB2C4D15E23 (1)
Weight, g/mol:	404.257612
ΔH_f, kcal/mol:	-66.99
Dipole, Da:	6.39
IP(EA), eV:	-8.91(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)Cl

DOS

IR

Vibrations