Geometry & MOs

Info

ID:	286793
PubChem CID:	104222398
Reduced:	N5C10H13 (1)
Stoich.:	A5B10C13 (1)
Weight, g/mol:	237.078123
ΔH_f, kcal/mol:	92.37
Dipole, Da:	3.24
IP(EA), eV:	-9.18(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-chloropyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2=NC=C(C=N2)CNC

DOS

IR

Vibrations