Geometry & MOs

Info

ID:	286779
PubChem CID:	104222365
Reduced:	N5C16H19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	245.164046
ΔH_f, kcal/mol:	76.1
Dipole, Da:	5.13
IP(EA), eV:	-8.74(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)N2C=NC3=C2C=C(C(=C3)C)C

DOS

IR

Vibrations