Geometry & MOs

Info

ID:	445677
PubChem CID:	135268881
Reduced:	ClN4C30H41 (1)
Stoich.:	AB4C30D41 (1)
Weight, g/mol:	362.190675
ΔH_f, kcal/mol:	70.94
Dipole, Da:	4.91
IP(EA), eV:	-8.06(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-1-methyl-2,4-dimethylidene-6-(methylideneamino)-N-(2-methylphenyl)pyrimidin-5-amine

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CC(=C)N(CC2=CC=C(C=C2)Cl)/C(=C(\C)/N(C)C=C)/C(=C)N(C)CCC(C)C

DOS

IR

Vibrations