Geometry & MOs

Info

ID:	365558
PubChem CID:	127318032
Reduced:	O4N5C14H25 (1)
Stoich.:	A4B5C14D25 (1)
Weight, g/mol:	315.198048
ΔH_f, kcal/mol:	-176.17
Dipole, Da:	4.31
IP(EA), eV:	-8.84(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(COCCN1CCNC(=O)NCCN2C(=O)CNC2=O)C

DOS

IR

Vibrations