Geometry & MOs

Info

ID:	362853
PubChem CID:	127309682
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	299.220892
ΔH_f, kcal/mol:	-76.1
Dipole, Da:	4.18
IP(EA), eV:	-8.24(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C3CCN(CC3)C(=O)NCC4CCCN4CCOC

DOS

IR

Vibrations