Geometry & MOs

Info

ID:	80268
PubChem CID:	49833791
Reduced:	N9C31H31 (1)
Stoich.:	A9B31C31 (1)
Weight, g/mol:	528.274993
ΔH_f, kcal/mol:	182.52
Dipole, Da:	6.95
IP(EA), eV:	-8.27(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-benzyl-3H-benzimidazol-5-yl)-1-ethylpyrazol-4-yl]-N-[3-[(dimethylamino)methyl]phenyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C2=CC3=C(C=C2)N=C(N3)NC4=CC=CC=C4)C5=NC(=NC=C5)NC6=CC=CC(=C6)CN(C)C

DOS

IR

Vibrations