Geometry & MOs

Info

ID:	192837
PubChem CID:	78318937
Reduced:	O3N8C30H36 (1)
Stoich.:	A3B8C30D36 (1)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	-17.88
Dipole, Da:	11.67
IP(EA), eV:	-8.2(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(1-methyl-2-oxopyridin-3-yl)piperidin-1-yl]azepane-1-carboxylate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)CCN(C)C)OC

DOS

IR

Vibrations