Geometry & MOs

Info

ID:	75144
PubChem CID:	48423084
Reduced:	N2O3C16H28 (1)
Stoich.:	A2B3C16D28 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	-149.35
Dipole, Da:	5.03
IP(EA), eV:	-9.38(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC(CC1)NC(=O)C(C)OCC2CC2

DOS

IR

Vibrations