Geometry & MOs

Info

ID:	129871
PubChem CID:	51074101
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	7.26
Dipole, Da:	5.44
IP(EA), eV:	-9.24(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-(pyridin-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CN2CCN(CC2)C(=O)NCC3=CC=CC=N3

DOS

IR

Vibrations