Geometry & MOs

Info

ID:	170640
PubChem CID:	75262555
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	364.110887
ΔH_f, kcal/mol:	-68.07
Dipole, Da:	3.18
IP(EA), eV:	-8.71(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-cyclopropyl-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,4-dioxo-5H-pyrimidin-1-ium-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN2CC3C(C2)(C(=O)C4=CC=CC=C4C(=O)N3)C

DOS

IR

Vibrations