Geometry & MOs

Info

ID:	80267
PubChem CID:	49833789
Reduced:	ON8C33H34 (1)
Stoich.:	AB8C33D34 (1)
Weight, g/mol:	529.270242
ΔH_f, kcal/mol:	127.39
Dipole, Da:	5.66
IP(EA), eV:	-8.39(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]-1-ethylpyrazol-3-yl]-N-phenyl-1H-benzimidazol-2-amine

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C2=CC3=C(C=C2)N=C(N3)CC4=CC=CC=C4OC)C5=NC(=NC=C5)NC6=CC=CC(=C6)CN(C)C

DOS

IR

Vibrations