Geometry & MOs

Info

ID:	278939
PubChem CID:	103840005
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	255.169525
ΔH_f, kcal/mol:	-89.38
Dipole, Da:	7.35
IP(EA), eV:	-8.65(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NCC(C)(CN(C)C)O

DOS

IR

Vibrations