Geometry & MOs

Info

ID:	185048
PubChem CID:	77246782
Reduced:	O4N6C23H40 (1)
Stoich.:	A4B6C23D40 (1)
Weight, g/mol:	480.335193
ΔH_f, kcal/mol:	-141.24
Dipole, Da:	2.73
IP(EA), eV:	-9.68(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[6-(2,6-diethylphenyl)-4-(oxolan-3-yloxy)pyridin-3-yl]heptan-4-yl]morpholine

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C(CCCN=C(N)N[N+](=O)[O-])NC(=O)CC12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations