Geometry & MOs

Info

ID:	370278
PubChem CID:	127337945
Reduced:	ON7C18H23 (1)
Stoich.:	AB7C18D23 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	33.41
Dipole, Da:	5.97
IP(EA), eV:	-8.57(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations