Geometry & MOs

Info

ID:	252377
PubChem CID:	103110926
Reduced:	O3N4C11H16 (1)
Stoich.:	A3B4C11D16 (1)
Weight, g/mol:	224.127326
ΔH_f, kcal/mol:	-80.28
Dipole, Da:	11.2
IP(EA), eV:	-9.43(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-(cyclopropylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=NN=C(C=C1)C(=O)O

DOS

IR

Vibrations