Geometry & MOs

Info

ID:	252662
PubChem CID:	103113069
Reduced:	NO2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	283.128054
ΔH_f, kcal/mol:	-209.95
Dipole, Da:	6.73
IP(EA), eV:	-9.63(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]triazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C1CCC(CC1)C(=O)O

DOS

IR

Vibrations