Geometry & MOs

Info

ID:	22029
PubChem CID:	595702
Reduced:	Cl2O2N5C18H21 (1)
Stoich.:	A2B2C5D18E21 (1)
Weight, g/mol:	409.10723
ΔH_f, kcal/mol:	-68.44
Dipole, Da:	3.15
IP(EA), eV:	-8.76(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-N-[(3,4-dichlorophenyl)methyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)C2CCC3=C(C2)C(=NC(=N3)N)N

DOS

IR

Vibrations