Geometry & MOs

Info

ID:	148174
PubChem CID:	53787836
Reduced:	O3C28H40 (1)
Stoich.:	A3B28C40 (1)
Weight, g/mol:	471.11575
ΔH_f, kcal/mol:	-126.53
Dipole, Da:	4.23
IP(EA), eV:	-9.81(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-7-methoxy-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(C)C(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C

DOS

IR

Vibrations