Geometry & MOs

Info

ID:	69081
PubChem CID:	46517824
Reduced:	OS2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	392.093226
ΔH_f, kcal/mol:	10.53
Dipole, Da:	1.51
IP(EA), eV:	-9.04(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-nitropyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)C)C)C(=O)NCCC3=CC=CS3

DOS

IR

Vibrations