Geometry & MOs

Info

ID:	157811
PubChem CID:	56437410
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	413.24269
ΔH_f, kcal/mol:	-95.42
Dipole, Da:	7.58
IP(EA), eV:	-8.46(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(azepane-1-carbonyl)phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)NCC2=CC(=CC=C2)C(=O)NCCN(C)C

DOS

IR

Vibrations