Geometry & MOs

Info

ID:	425779
PubChem CID:	135127950
Reduced:	NH27C32 (1)
Stoich.:	AB27C32 (1)
Weight, g/mol:	318.184447
ΔH_f, kcal/mol:	288.35
Dipole, Da:	4.75
IP(EA), eV:	-8.87(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[2-(2-methylcyclopropyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

CC(=N)C1=CC(=C=CC2=CCC(C=C21)C3=CC4=C(CC(C4=C)C5CC5)C=C3)C6=CC=C=C=C6

DOS

IR

Vibrations