Geometry & MOs

Info

ID:	343543
PubChem CID:	127266716
Reduced:	O3N5C14H19 (1)
Stoich.:	A3B5C14D19 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	-3.04
Dipole, Da:	2.87
IP(EA), eV:	-9.37(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methylpyrazol-4-yl)methyl]-3-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)NCC(CC2=CN(N=C2)C)CO)[N+](=O)[O-]

DOS

IR

Vibrations