Geometry & MOs

Info

ID:	444590
PubChem CID:	135262920
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	-115.64
Dipole, Da:	1.77
IP(EA), eV:	-8.98(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-[2-(azepan-1-yl)-4-methoxyphenyl]-(5-methylfuran-2-yl)methanamine

Drug info:

PubChemData

Smile

CCC(=O)NCC1=C2C(=C(C=C1)C(=O)C)CCO2

DOS

IR

Vibrations