Geometry & MOs

Info

ID:	353018
PubChem CID:	127284168
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	-76.62
Dipole, Da:	2.41
IP(EA), eV:	-8.16(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=NC=C(C=C1)N2CCOCC2)N3CCCCC3

DOS

IR

Vibrations