Geometry & MOs

Info

ID:	286809
PubChem CID:	104222488
Reduced:	N5C11H15 (1)
Stoich.:	A5B11C15 (1)
Weight, g/mol:	255.148396
ΔH_f, kcal/mol:	83.86
Dipole, Da:	4.25
IP(EA), eV:	-9.16(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)N2C=CC(=N2)C

DOS

IR

Vibrations