Geometry & MOs

Info

ID:	185604
PubChem CID:	77319905
Reduced:	IN4O4C16H23 (1)
Stoich.:	AB4C4D16E23 (1)
Weight, g/mol:	539.335922
ΔH_f, kcal/mol:	-125.91
Dipole, Da:	4.99
IP(EA), eV:	-8.69(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[4-(4-methoxyphenyl)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-1-yl]-3-methylpentan-1-one

Drug info:

PubChemData

Smile

CCCCCNC1=C2C(=CN(C2=NC=N1)C3C(C(C(O3)CO)O)O)I

DOS

IR

Vibrations