Geometry & MOs

Info

ID:	364307
PubChem CID:	127315406
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-73.72
Dipole, Da:	3.41
IP(EA), eV:	-8.34(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)NC=C4

DOS

IR

Vibrations