Geometry & MOs

Info

ID:	286685
PubChem CID:	104179700
Reduced:	NOSC13H19 (1)
Stoich.:	ABCD13E19 (1)
Weight, g/mol:	246.184447
ΔH_f, kcal/mol:	-0.49
Dipole, Da:	5.13
IP(EA), eV:	-8.46(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)CCNC1CC(C1)C2=CC=CC=C2

DOS

IR

Vibrations