Geometry & MOs

Info

ID:	55736
PubChem CID:	17396226
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	435.263425
ΔH_f, kcal/mol:	-82.76
Dipole, Da:	6.07
IP(EA), eV:	-8.87(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantylmethyl)-4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

DOS

IR

Vibrations