Geometry & MOs

Info

ID:	189735
PubChem CID:	77897635
Reduced:	N2O3C20H32 (1)
Stoich.:	A2B3C20D32 (1)
Weight, g/mol:	371.177982
ΔH_f, kcal/mol:	-143.3
Dipole, Da:	3.96
IP(EA), eV:	-8.69(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-(5-methylthiophen-2-yl)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CC(C(C1)OC)NC(=O)C2=CC=C(C=C2)CCC(C)(C)O

DOS

IR

Vibrations