Geometry & MOs

Info

ID:	426964
PubChem CID:	135154733
Reduced:	N2O5C14H30 (1)
Stoich.:	A2B5C14D30 (1)
Weight, g/mol:	483.12288
ΔH_f, kcal/mol:	-220.62
Dipole, Da:	24.26
IP(EA), eV:	-7.91(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;dihydrochloride

Drug info:

PubChemData

Smile

C[N+](C)(C)CCCC(=O)[O-].C[N+](C)(C)CC(CC(=O)[O-])O

DOS

IR

Vibrations