Geometry & MOs

Info

ID:	164860
PubChem CID:	74462226
Reduced:	N4O4C21H23 (1)
Stoich.:	A4B4C21D23 (1)
Weight, g/mol:	392.188212
ΔH_f, kcal/mol:	-26.87
Dipole, Da:	4.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.961113
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CN4C(=O)[NH+]5C=CC=CC5=N4

DOS

IR

Vibrations