Geometry & MOs

Info

ID:	286803
PubChem CID:	104222458
Reduced:	N5C14H15 (1)
Stoich.:	A5B14C15 (1)
Weight, g/mol:	277.109423
ΔH_f, kcal/mol:	110.45
Dipole, Da:	4.43
IP(EA), eV:	-8.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)N2C3=CC=CC=C3C=N2

DOS

IR

Vibrations