Geometry & MOs

Info

ID:	375652
PubChem CID:	134220524
Reduced:	SN2O2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	322.215747
ΔH_f, kcal/mol:	4.92
Dipole, Da:	5.29
IP(EA), eV:	-9.05(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-benzyl-1,4-diazepan-1-yl)-5,6,7,8-tetrahydroquinazoline

Drug info:

PubChemData

Smile

C/C=C\C(=C/N=CC1=C(SC(=C1)CC(=O)OC)C)\C#N

DOS

IR

Vibrations