Geometry & MOs

Info

ID:	151474
PubChem CID:	53812472
Reduced:	O4N5C13H17 (1)
Stoich.:	A4B5C13D17 (1)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	-116.23
Dipole, Da:	9.57
IP(EA), eV:	-9.51(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzylpiperazin-1-yl)-5-nitroso-5,6,7,8-tetrahydroquinazoline

Drug info:

PubChemData

Smile

CCCCOC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CC(=O)C

DOS

IR

Vibrations