Geometry & MOs

Info

ID:	416726
PubChem CID:	135090179
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-42.14
Dipole, Da:	7.4
IP(EA), eV:	-8.68(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)N)N2C[C@H]([C@@H](C2)O)CC3=NNC(=C3)C

DOS

IR

Vibrations