Geometry & MOs

Info

ID:	128279
PubChem CID:	51037401
Reduced:	FSO2N7C26H30 (1)
Stoich.:	ABC2D7E26F30 (1)
Weight, g/mol:	312.102254
ΔH_f, kcal/mol:	10.09
Dipole, Da:	10.18
IP(EA), eV:	-8.68(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-fluorophenyl)ethyl]-6-nitroquinazolin-4-amine

Drug info:

PubChemData

Smile

CCCCN(C1=NN=C(S1)C2=CC=C(C=C2)OCCN(C)CCN3C=NC=N3)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations