Geometry & MOs

Info

ID:	176436
PubChem CID:	76049112
Reduced:	O4N5C15H22 (1)
Stoich.:	A4B5C15D22 (1)
Weight, g/mol:	308.200097
ΔH_f, kcal/mol:	-124.16
Dipole, Da:	6.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.868451
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-phenylcyclopropyl)methyl]-1-(3-pyridin-3-ylpyrazolidin-4-yl)methanamine

Drug info:

PubChemData

Smile

CN1C2=NC=[N+](C2C(=O)N(C1=O)CC(=O)N3CCC(CC3)OC)C

DOS

IR

Vibrations