Geometry & MOs

Info

ID:	436313
PubChem CID:	135198828
Reduced:	ClON7C20H28 (1)
Stoich.:	ABC7D20E28 (1)
Weight, g/mol:	497.194215
ΔH_f, kcal/mol:	37.84
Dipole, Da:	6.88
IP(EA), eV:	-8.49(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[6-chloro-4-[(1-cyclopropylimidazol-4-yl)amino]quinazoline-2-carbonyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1CN2C=C(N=C2)NC(=NCCCNCCNC=O)C3=C(C=CC(=C3)Cl)N

DOS

IR

Vibrations