Geometry & MOs

Info

ID:	418959
PubChem CID:	135107222
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-88.76
Dipole, Da:	4.2
IP(EA), eV:	-9.34(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)N(CCO)CC1=NC=CN1

DOS

IR

Vibrations