Geometry & MOs

Info

ID:	371460
PubChem CID:	127346498
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	346.24811
ΔH_f, kcal/mol:	-109.52
Dipole, Da:	6.4
IP(EA), eV:	-9.38(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CN(C2=CC=NC=C2)C(=O)CC3CCOC3

DOS

IR

Vibrations