Geometry & MOs

Info

ID:	354576
PubChem CID:	127287190
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	351.288577
ΔH_f, kcal/mol:	-95.28
Dipole, Da:	3.31
IP(EA), eV:	-8.67(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-propan-2-ylcyclohexyl)-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(CNC(=O)NC1(CCCC1)C2=CC3=C(C=C2)OCCO3)N(C)C4CC4

DOS

IR

Vibrations