Geometry & MOs

Info

ID:	270087
PubChem CID:	103626665
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	229.161269
ΔH_f, kcal/mol:	-112.94
Dipole, Da:	6.3
IP(EA), eV:	-8.56(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-[(1-methylpyrrolidin-2-yl)methyl]thiourea

Drug info:

PubChemData

Smile

CN1CCCC1CNC(=O)C2=C(C=CC(=C2)OC)O

DOS

IR

Vibrations