Geometry & MOs

Info

ID:	190713
PubChem CID:	78046350
Reduced:	N2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	518.205337
ΔH_f, kcal/mol:	-52.88
Dipole, Da:	6.4
IP(EA), eV:	-9.57(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,3-difluorocyclobutyl)amino]-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)-(3-methylpyrazolidin-4-yl)methyl]quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC2=NC(=O)C=NC2C=C1

DOS

IR

Vibrations