Geometry & MOs

Info

ID:	365543
PubChem CID:	127317999
Reduced:	O4N5C14H25 (1)
Stoich.:	A4B5C14D25 (1)
Weight, g/mol:	315.198048
ΔH_f, kcal/mol:	-183.73
Dipole, Da:	4.2
IP(EA), eV:	-9.0(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(thian-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1(CN(CCO1)CCNC(=O)NCCN2C(=O)CNC2=O)C

DOS

IR

Vibrations