Geometry & MOs

Info

ID:	193284
PubChem CID:	78370262
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	365.152161
ΔH_f, kcal/mol:	-87.65
Dipole, Da:	7.58
IP(EA), eV:	-9.31(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-ethyl-4-methylpyrazolidine-3-carbonyl)amino]thiourea

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1)N2C(=O)C3C=CC=CC3=NC2=O

DOS

IR

Vibrations