Geometry & MOs

Info

ID:	183715
PubChem CID:	77061372
Reduced:	N4O4C11H17 (1)
Stoich.:	A4B4C11D17 (1)
Weight, g/mol:	264.169859
ΔH_f, kcal/mol:	-127.02
Dipole, Da:	6.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.878718
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(CN=C1C(=O)N(C(=O)[N+](=N1)C)C)C(=O)O

DOS

IR

Vibrations