Geometry & MOs

Info

ID:	130434
PubChem CID:	51090851
Reduced:	OSN6C15H18 (1)
Stoich.:	ABC6D15E18 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	53.54
Dipole, Da:	3.7
IP(EA), eV:	-8.94(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-imidazol-1-yl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=CSC=C1)NC(=O)CN(C)C2=NC=NC3=C2NC=N3

DOS

IR

Vibrations