Geometry & MOs

Info

ID:	307061
PubChem CID:	125267427
Reduced:	ClN4O4H25C30 (1)
Stoich.:	AB4C4D25E30 (1)
Weight, g/mol:	218.080376
ΔH_f, kcal/mol:	-52.21
Dipole, Da:	4.45
IP(EA), eV:	-8.76(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-6-methyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1NC(=O)[C@]23[C@H]4[C@@H]([C@@H](N3)CC5=C6C=CC=CC6=NC5)C(=O)N(C4=O)C7=CC=C(C=C7)OC)Cl

DOS

IR

Vibrations