Geometry & MOs

Info

ID:	358408
PubChem CID:	127295953
Reduced:	FON5C21H28 (1)
Stoich.:	ABC5D21E28 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-46.46
Dipole, Da:	8.21
IP(EA), eV:	-8.64(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(azepane-1-carbonyl)phenyl]-1-methyl-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=C(C=C(C=C2)NC(=O)N3CCC(C3)N4CCCCC4)F)C

DOS

IR

Vibrations