Geometry & MOs

Info

ID:	358510
PubChem CID:	127296106
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	270.194343
ΔH_f, kcal/mol:	-121.44
Dipole, Da:	4.56
IP(EA), eV:	-8.14(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(oxan-2-ylmethyl)-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CNC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations