Geometry & MOs

Info

ID:	351642
PubChem CID:	127280563
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	371.212139
ΔH_f, kcal/mol:	1.56
Dipole, Da:	5.53
IP(EA), eV:	-8.8(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C2C1=C(NN2C)C)CCC(=O)N3CCCC3C4=CN(N=C4)C

DOS

IR

Vibrations