Geometry & MOs

Info

ID:	350005
PubChem CID:	127276878
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	390.299476
ΔH_f, kcal/mol:	-147.64
Dipole, Da:	5.41
IP(EA), eV:	-8.2(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-adamantyl)-3-[3-oxo-3-(4-propan-2-yl-1,4-diazepan-1-yl)propyl]urea

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations