Geometry & MOs

Info

ID:	331283
PubChem CID:	127248690
Reduced:	FO2N6C23H25 (1)
Stoich.:	AB2C6D23E25 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-31.2
Dipole, Da:	4.92
IP(EA), eV:	-8.73(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C=C1)CC(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C

DOS

IR

Vibrations