Geometry & MOs

Info

ID:	364540
PubChem CID:	127315792
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-116.07
Dipole, Da:	4.7
IP(EA), eV:	-9.08(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyloxolan-3-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1(CCOC1)CNC(=O)C2=CC=CC(=C2)CN3CCOCC3

DOS

IR

Vibrations