Geometry & MOs

Info

ID:	369019
PubChem CID:	127331123
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-36.43
Dipole, Da:	2.48
IP(EA), eV:	-8.61(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-[(1-hydroxycycloheptyl)methyl]urea

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)NCC3CCC(CC3)C4=CC=CC=C4

DOS

IR

Vibrations