Geometry & MOs

Info

ID:	352089
PubChem CID:	127283157
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	375.252192
ΔH_f, kcal/mol:	-177.54
Dipole, Da:	2.57
IP(EA), eV:	-8.72(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(azepan-1-ylmethyl)phenyl]methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(CCC1=CC2=C(C=C1)OCO2)NC(=O)NCC3(CCCCC3)O

DOS

IR

Vibrations