Geometry & MOs

Info

ID:	65463
PubChem CID:	38671714
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	478.200491
ΔH_f, kcal/mol:	-67.49
Dipole, Da:	4.77
IP(EA), eV:	-9.18(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1-benzhydryl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C#N)N(C)C(=O)[C@@H](C)OC(=O)C2=C(N=C3C(=C2)C(=NN3C)C)C

DOS

IR

Vibrations