Geometry & MOs

Info

ID:	436033
PubChem CID:	135193444
Reduced:	N3O5C11H15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	225.184112
ΔH_f, kcal/mol:	-203.98
Dipole, Da:	3.47
IP(EA), eV:	-9.8(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=O)N(C=C1)C2C[C@H](C(O2)CO)O

DOS

IR

Vibrations