Geometry & MOs

Info

ID:	368916
PubChem CID:	127330924
Reduced:	N3O4C18H27 (1)
Stoich.:	A3B4C18D27 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-151.03
Dipole, Da:	4.21
IP(EA), eV:	-8.64(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-morpholin-4-ylethyl)phenyl]-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)NC(=O)NCC2COCCO2)N3CCOCC3

DOS

IR

Vibrations