Geometry & MOs

Info

ID:	286691
PubChem CID:	104222095
Reduced:	NC4H7 (4)
Stoich.:	AB4C7 (4)
Weight, g/mol:	274.215747
ΔH_f, kcal/mol:	3.89
Dipole, Da:	1.85
IP(EA), eV:	-8.36(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCC1(CCN(C1)C2=NC=C(C=N2)CNC(C)C)CC

DOS

IR

Vibrations