Geometry & MOs

Info

ID:	286815
PubChem CID:	104222505
Reduced:	N5C13H19 (1)
Stoich.:	A5B13C19 (1)
Weight, g/mol:	265.132746
ΔH_f, kcal/mol:	77.41
Dipole, Da:	4.07
IP(EA), eV:	-9.15(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[2-(4-phenylpyrazol-1-yl)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations