Geometry & MOs

Info

ID:	435762
PubChem CID:	135192358
Reduced:	ClO3N9C29H32 (1)
Stoich.:	AB3C9D29E32 (1)
Weight, g/mol:	368.9992
ΔH_f, kcal/mol:	8.91
Dipole, Da:	1.95
IP(EA), eV:	-8.16(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[amino-[(Z)-2-amino-3-bromoprop-1-enyl]amino]-5-chlorophenyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CCCC(C2=NC=CC(=C2)C3=C(C=NN3C)NC1=O)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N(/C=C(/CO)\N)N

DOS

IR

Vibrations